Conda package rdkit-postgresql downgrades my rdkit conda package
malteseunderdog opened this issue · comments
I try to install the postgresql cartridge via conda install rdkit-postgresql but this does not work with the latest version of RDKit 2019.03.3
It either installs 2018 version if run with
conda create -c rdkit -n rdkit2 rdkit rdkit-postgresql
Or if I try -- I get a ton of dependency errors
conda install -c rdkit -n rdkit rdkit-postgresql
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rdkit/linux-64::rdkit==2019.03.3.0=py37hc20afe1_1 -> numpy[version='>=1.12'] -> mkl_fft[version='>=1.0.6,<2.0a0'] -> python[version='>=2.7,<2.8.0a0'] -> readline[version='>=7.0,<8.0a0']
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rdkit/linux-64::rdkit==2019.03.3.0=py37hc20afe1_1 -> numpy[version='>=1.12'] -> mkl_fft[version='>=1.0.6,<2.0a0'] -> python[version='>=2.7,<2.8.0a0'] -> sqlite[version='>=3.27.2,<4.0a0'] -> libedit[version='>=3.1.20181209,<3.2.0a0']
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rdkit/linux-64::rdkit==2019.03.3.0=py37hc20afe1_1 -> numpy[version='>=1.12'] -> mkl_fft[version='>=1.0.6,<2.0a0'] -> python[version='>=2.7,<2.8.0a0'] -> tk[version='>=8.6.8,<8.7.0a0']
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rdkit/linux-64::rdkit==2019.03.3.0=py37hc20afe1_1 -> numpy[version='>=1.12'] -> mkl_random[version='>=1.0.2,<2.0a0']
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rdkit/linux-64::rdkit==2019.03.3.0=py37hc20afe1_1 -> pandas
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rdkit/linux-64::rdkit==2019.03.3.0=py37hc20afe1_1 -> pillow -> jpeg[version='>=9b,<10a']
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rdkit/linux-64::rdkit==2019.03.3.0=py37hc20afe1_1 -> pillow -> libtiff[version='>=4.0.10,<5.0a0'] -> zstd[version='>=1.3.7,<1.3.8.0a0']
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rdkit/linux-64::rdkit==2019.03.3.0=py37hc20afe1_1 -> pillow -> olefile
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rdkit/linux-64::rdkit==2019.03.3.0=py37hc20afe1_1 -> py-boost
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RDKit Version: 2019.03.3
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Platform: Ubuntu 18.04
This is an issue for the conda-rdkit repo
I didn't manage to finish doing the cartridge build when I did the python builds.
I'll try and get it up later today.
In the meantime: It is a generally good idea anyway to have separate conda envs for these things.